Chem 1 1 Diphenyl 2 Picrylhydrazine Molychem

Compound 372
  CheckMol                        TMF02:r0:m0
MF=C18H13N5O6 MW=395.33
 29 31  0  3  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3180   -0.7369   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6359    0.0283   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3321   -2.2391   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -0.0425   -2.9761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6501   -2.9761   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.2471   -2.2108   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0567   -4.4783   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -2.6643   -4.4783   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5367   -2.9477   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0345   -5.3286   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3747   -5.2152   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
   -3.9823   -5.2152   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8264   -2.1824   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.5509   -4.2232   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    0.9070   -6.9300   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5084   -4.7617   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3002   -4.4499   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9964   -6.7174   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1160   -2.9194   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8122   -0.6519   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.3605   -4.9459   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8264   -5.1869   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.4056   -2.1541   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    5.1018    0.1134   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.4172   -6.7316   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.8122   -6.6891   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    6.3915   -0.6236   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    2.4801   -7.4260   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7  1  0  0  0  0
  5  8 01  0  1  0  0
  6  9 02  0  1  0  0
  7 10  1  0  0  0  0
  8 11  1  0  0  0  0
  8 12 02  0  1  0  0
  9 13  1  0  0  0  0
 10 14  1  0  0  0  0
 10 15  1  0  0  0  0
 11 16  2  0  0  0  0
 11 17  1  0  0  0  0
 13 18  2  0  0  0  0
 13 19  1  0  0  0  0
 14 20 02  0  1  0  0
 14 21 01  0  1  0  0
 15 22 02  0  1  0  0
 15 23 01  0  1  0  0
 20 24 01  0  1  0  0
 21 25 02  0  1  0  0
 22 26 01  0  1  0  0
 23 27 02  0  1  0  0
 24 28 02  0  1  0  0
 26 29 02  0  1  0  0
  9 12 01  0  1  0  0
 25 28 01  0  1  0  0
 27 29 01  0  1  0  0
M  CHG  1   2   1
M  CHG  1   3  -1
M  CHG  1  11   1
M  CHG  1  13   1
M  CHG  1  17  -1
M  CHG  1  19  -1
M  END

1, 1-Diphenyl-2-Picrylhydrazine

₹ 0.00 0.00

Chemical Name - 1, 1-Diphenyl-2-Picrylhydrazine
Mol Weight - 395.33
Smiles - [O-][N+](c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1NN(c1ccccc1)c1ccccc1)=O

Property Name	Property Value
Mol Name	1, 1-Diphenyl-2-Picrylhydrazine
Molweight	395.33
Monoisotopic Mass	395.086585
Clogp	2.5193
Clogs	-6.123
H Acceptors	11
H Donors	1
Total Surface Area	285.55
Relative Psa	0.37216
Polar Surface Area	152.73
Druglikeness	-4.143
Mutagenic	high
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.41379
Molecular Flexibility	0.47782
Molecular Complexity	0.82973
Fragments	1
Non H Atoms	29
Non Ch Atoms	11
Electronegative Atoms	11
Rotatable Bonds	7
Rings Closures	3
Small Rings	3
Aromatic Rings	3
Aromatic Atoms	18
Sp3 Atoms	4
Symmetric Atoms	13
Acidic Oxygens	3
Smiles	[O-][N+](c(cc1[N+]([O-])=O)cc([N+]([O-])=O)c1NN(c1ccccc1)c1ccccc1)=O
InChIKey	InChI=1S/C18H13N5O6/c24-21(25)15-11-16(22(26)27)18(17(12-15)23(28)29)19-20(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-12,19H
InChI	WCBPJVKVIMMEQC-UHFFFAOYSA-N

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1 - 1, 1-Diphenyl-2-Picrylhydrazine
2 - 1, 1-Diphenyl-2-Picrylhydrazine

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1, 1-Diphenyl-2-Picrylhydrazine